Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ve6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 29.A OD2 no hydrogen 3.035 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.915 N/A MET 5.A N CYS 101.A O no hydrogen 3.176 N/A ARG 6.A N TYR 27.A O no hydrogen 2.970 N/A ARG 6.A NE MET 5.A O no hydrogen 3.043 N/A TYR 7.A N SER 99.A O no hydrogen 2.735 N/A PHE 8.A N VAL 25.A O no hydrogen 2.821 N/A GLU 9.A N GLN 97.A O no hydrogen 2.858 N/A THR 10.A N ILE 23.A O no hydrogen 2.860 N/A ALA 11.A N LEU 95.A O no hydrogen 2.796 N/A VAL 12.A N ARG 21.A O no hydrogen 2.840 N/A SER 13.A N HIS 93.A O no hydrogen 2.987 N/A SER 13.A OG HIS 93.A O no hydrogen 3.419 N/A ARG 14.A NE GLU 19.A O no hydrogen 3.430 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 3.495 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.315 N/A ARG 21.A N VAL 12.A O no hydrogen 2.776 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.088 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.283 N/A TYR 22.A N SER 38.A OG no hydrogen 3.151 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.582 N/A ILE 23.A N THR 10.A O no hydrogen 2.958 N/A SER 24.A N PHE 36.A O no hydrogen 2.875 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.565 N/A VAL 25.A N PHE 8.A O no hydrogen 2.961 N/A GLY 26.A N VAL 34.A O no hydrogen 2.867 N/A TYR 27.A N ARG 6.A O no hydrogen 2.681 N/A VAL 28.A N LYS 31.A O no hydrogen 2.853 N/A ASP 29.A N SER 4.A O no hydrogen 2.812 N/A LYS 31.A N VAL 28.A O no hydrogen 3.005 N/A PHE 33.A N GLY 26.A O no hydrogen 2.933 N/A VAL 34.A N GLY 26.A O no hydrogen 3.527 N/A ARG 35.A N GLU 46.A O no hydrogen 3.080 N/A ARG 35.A NH1 GLU 32.A OE1 no hydrogen 3.141 N/A PHE 36.A N SER 24.A O no hydrogen 2.708 N/A SER 38.A N TYR 22.A O no hydrogen 2.870 N/A SER 38.A OG GLU 19.A OE1 no hydrogen 3.309 N/A SER 38.A OG ASP 39.A OD1 no hydrogen 3.055 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.801 N/A ALA 40.A N ASP 37.A O no hydrogen 3.370 N/A ARG 44.A NE TYR 45.A O no hydrogen 3.394 N/A ARG 44.A NH2 TYR 45.A O no hydrogen 3.569 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.337 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.565 N/A GLU 46.A N ARG 35.A O no hydrogen 2.774 N/A ARG 48.A N PHE 33.A O no hydrogen 2.679 N/A ARG 48.A NH1 GLU 32.A OE2 no hydrogen 3.515 N/A MET 52.A N ALA 49.A O no hydrogen 3.144 N/A GLU 53.A N PRO 50.A O no hydrogen 3.417 N/A GLN 54.A NE2 TRP 51.A O no hydrogen 3.255 N/A GLU 55.A N MET 52.A O no hydrogen 3.168 N/A TYR 59.A N GLY 56.A O no hydrogen 3.114 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.581 N/A GLU 61.A N PRO 57.A O no hydrogen 3.265 N/A ARG 62.A N GLU 58.A O no hydrogen 3.308 N/A GLU 63.A N TYR 59.A O no hydrogen 3.223 N/A THR 64.A N TRP 60.A O no hydrogen 2.980 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.726 N/A GLN 65.A N GLU 61.A O no hydrogen 2.974 N/A LYS 66.A N ARG 62.A O no hydrogen 3.128 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.808 N/A ALA 67.A N GLU 63.A O no hydrogen 3.047 N/A LYS 68.A N THR 64.A O no hydrogen 3.076 N/A GLY 69.A N GLN 65.A O no hydrogen 3.147 N/A GLN 70.A N LYS 66.A O no hydrogen 2.912 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.718 N/A GLU 71.A N ALA 67.A O no hydrogen 2.927 N/A GLN 72.A N LYS 68.A O no hydrogen 3.305 N/A TRP 73.A N GLY 69.A O no hydrogen 2.950 N/A PHE 74.A N GLN 70.A O no hydrogen 2.713 N/A ARG 75.A N GLU 71.A O no hydrogen 2.928 N/A VAL 76.A N GLN 72.A O no hydrogen 3.142 N/A SER 77.A N TRP 73.A O no hydrogen 3.060 N/A SER 77.A OG TRP 73.A O no hydrogen 2.854 N/A LEU 78.A N PHE 74.A O no hydrogen 2.846 N/A ARG 79.A N ARG 75.A O no hydrogen 3.208 N/A ARG 79.A NH2 ASN 80.A OD1 no hydrogen 2.925 N/A ASN 80.A N VAL 76.A O no hydrogen 3.002 N/A LEU 81.A N SER 77.A O no hydrogen 2.789 N/A LEU 82.A N LEU 78.A O no hydrogen 3.091 N/A GLY 83.A N ARG 79.A O no hydrogen 3.281 N/A TYR 84.A N ASN 80.A O no hydrogen 2.830 N/A TYR 85.A N LEU 81.A O no hydrogen 3.058 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.591 N/A ASN 86.A N GLY 83.A O no hydrogen 3.206 N/A GLN 87.A N LEU 82.A O no hydrogen 2.994 N/A SER 92.A OG SER 13.A O no hydrogen 2.759 N/A HIS 93.A N SER 13.A OG no hydrogen 3.124 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.618 N/A THR 94.A N GLU 119.A OE1 no hydrogen 3.265 N/A LEU 95.A N ALA 11.A O no hydrogen 2.830 N/A GLN 96.A N ALA 117.A O no hydrogen 2.961 N/A GLN 97.A N GLU 9.A O no hydrogen 2.810 N/A MET 98.A N GLN 115.A O no hydrogen 2.936 N/A SER 99.A N TYR 7.A O no hydrogen 3.053 N/A SER 99.A OG TYR 7.A O no hydrogen 3.186 N/A GLY 100.A N TYR 113.A O no hydrogen 3.152 N/A CYS 101.A N MET 5.A O no hydrogen 3.165 N/A ASP 102.A N ARG 111.A O.A no hydrogen 2.724 N/A ASP 102.A N ARG 111.A O.B no hydrogen 2.729 N/A LEU 103.A N HIS 3.A O no hydrogen 2.822 N/A GLY 104.A N ARG 108.A O no hydrogen 3.029 N/A TRP 107.A N GLY 104.A O no hydrogen 2.706 N/A LEU 110.A N ASP 102.A O no hydrogen 2.732 N/A TYR 113.A N GLY 100.A O no hydrogen 2.808 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.685 N/A GLN 115.A N MET 98.A O no hydrogen 3.050 N/A PHE 116.A N ILE 124.A O no hydrogen 2.698 N/A ALA 117.A N GLN 96.A O no hydrogen 2.971 N/A TYR 118.A N ARG 121.A O no hydrogen 2.734 N/A GLU 119.A N THR 94.A O no hydrogen 3.088 N/A ARG 121.A N TYR 118.A O no hydrogen 3.070 N/A TYR 123.A N PHE 116.A O no hydrogen 2.968 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.691 N/A ILE 124.A N PHE 116.A O no hydrogen 3.385 N/A ALA 125.A N THR 134.A O no hydrogen 3.119 N/A LEU 126.A N LEU 114.A O no hydrogen 2.594 N/A ASN 127.A N THR 132.A O no hydrogen 2.854 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 3.006 N/A LEU 130.A N ASN 127.A O no hydrogen 2.868 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.960 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.142 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.144 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.714 N/A THR 134.A N ALA 125.A O no hydrogen 2.922 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.668 N/A ALA 136.A N TYR 123.A O no hydrogen 2.916 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.452 N/A GLN 141.A N MET 138.A O no hydrogen 2.983 N/A ILE 142.A N MET 138.A O no hydrogen 3.396 N/A ILE 142.A N ALA 139.A O no hydrogen 3.076 N/A THR 143.A N ALA 139.A O no hydrogen 3.483 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.691 N/A ARG 144.A N ALA 140.A O no hydrogen 2.956 N/A ARG 145.A N GLN 141.A O no hydrogen 3.089 N/A LYS 146.A N ILE 142.A O no hydrogen 3.387 N/A TRP 147.A N THR 143.A O no hydrogen 2.939 N/A GLU 148.A N ARG 144.A O no hydrogen 2.691 N/A GLN 149.A N.A ARG 145.A O no hydrogen 3.012 N/A GLN 149.A N.B ARG 145.A O no hydrogen 3.044 N/A SER 150.A N LYS 146.A O no hydrogen 3.199 N/A SER 150.A OG LYS 146.A O no hydrogen 3.215 N/A SER 150.A OG TRP 147.A O no hydrogen 3.185 N/A ALA 152.A N TRP 147.A O no hydrogen 3.157 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.844 N/A TYR 156.A N ALA 152.A O no hydrogen 3.329 N/A LYS 157.A N ALA 153.A O no hydrogen 2.872 N/A ALA 158.A N GLU 154.A O no hydrogen 3.009 N/A TYR 159.A N HIS 155.A O no hydrogen 3.324 N/A LEU 160.A N TYR 156.A O no hydrogen 2.940 N/A GLU 161.A N LYS 157.A O no hydrogen 3.014 N/A GLY 162.A N ALA 158.A O no hydrogen 2.889 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.637 N/A CYS 164.A N TYR 159.A O no hydrogen 2.937 N/A GLU 166.A N GLY 162.A O no hydrogen 3.096 N/A TRP 167.A N GLU 163.A O no hydrogen 2.827 N/A LEU 168.A N CYS 164.A O no hydrogen 3.248 N/A HIS 169.A N VAL 165.A O no hydrogen 3.340 N/A ARG 170.A NH1 GLU 55.A OE2 no hydrogen 3.288 N/A TYR 171.A N TRP 167.A O no hydrogen 3.066 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.581 N/A LEU 172.A N LEU 168.A O no hydrogen 2.812 N/A LYS 173.A N HIS 169.A O no hydrogen 2.845 N/A ASN 174.A N ARG 170.A O no hydrogen 2.909 N/A GLY 175.A N TYR 171.A O no hydrogen 3.123 N/A ASN 176.A ND2 LYS 173.A O no hydrogen 3.020 N/A LEU 179.A N GLY 175.A O no hydrogen 3.075 N/A LEU 180.A N ASN 176.A O no hydrogen 3.314 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 3.141 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 3.518 N/A ASP 183.A N TYR 209.A O no hydrogen 3.117 N/A SER 184.A OG GLY 265.A O no hydrogen 2.883 N/A LYS 186.A N LEU 206.A O no hydrogen 2.938 N/A LYS 186.A NZ SER 184.A O no hydrogen 3.270 N/A HIS 188.A N TRP 204.A O no hydrogen 3.230 N/A THR 190.A N ARG 202.A O no hydrogen 2.966 N/A HIS 192.A N THR 200.A O no hydrogen 3.048 N/A ARG 194.A N GLU 198.A O no hydrogen 3.385 N/A SER 195.A N GLU 198.A O no hydrogen 3.351 N/A GLU 198.A N SER 195.A O no hydrogen 3.302 N/A VAL 199.A N VAL 249.A O no hydrogen 2.677 N/A THR 200.A N HIS 192.A O no hydrogen 2.925 N/A LEU 201.A N VAL 247.A O no hydrogen 2.957 N/A ARG 202.A N THR 190.A O no hydrogen 3.035 N/A CYS 203.A N ALA 245.A O no hydrogen 2.678 N/A TRP 204.A N HIS 188.A O no hydrogen 2.745 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 3.303 N/A ALA 205.A N LYS 243.A O no hydrogen 2.967 N/A LEU 206.A N LYS 186.A O no hydrogen 3.294 N/A PHE 208.A N PHE 241.A O no hydrogen 3.269 N/A TYR 209.A N ASP 183.A O no hydrogen 2.996 N/A THR 214.A N TYR 262.A O no hydrogen 3.206 N/A THR 216.A N ARG 260.A O no hydrogen 2.972 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 3.385 N/A GLN 218.A N THR 258.A O no hydrogen 2.973 N/A GLN 218.A NE2 THR 258.A OG1 no hydrogen 2.793 N/A LEU 219.A N GLU 222.A O no hydrogen 2.787 N/A ASN 220.A N ASN 256.A O no hydrogen 3.239 N/A GLU 222.A N LEU 219.A O no hydrogen 3.093 N/A LEU 224.A N TRP 217.A O no hydrogen 2.775 N/A MET 228.A N THR 225.A O no hydrogen 3.132 N/A GLU 229.A N SER 246.A O no hydrogen 3.064 N/A VAL 231.A N TRP 244.A O no hydrogen 3.192 N/A ARG 234.A N GLN 242.A O no hydrogen 3.005 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.232 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.370 N/A ALA 236.A N THR 240.A O no hydrogen 2.937 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.222 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.805 N/A PHE 241.A N PHE 208.A O no hydrogen 2.772 N/A GLN 242.A N ARG 234.A O no hydrogen 2.768 N/A LYS 243.A N ALA 205.A O no hydrogen 2.970 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.786 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 2.697 N/A ALA 245.A N CYS 203.A O no hydrogen 3.202 N/A SER 246.A N GLU 229.A O no hydrogen 2.859 N/A VAL 247.A N LEU 201.A O no hydrogen 2.953 N/A VAL 249.A N VAL 199.A O no hydrogen 2.706 N/A LEU 251.A N GLY 197.A O no hydrogen 3.125 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 3.201 N/A LYS 253.A N PRO 250.A O no hydrogen 3.372 N/A GLU 254.A N GLU 254.A OE2 no hydrogen 2.864 N/A GLN 255.A NE2 GLN 255.A O no hydrogen 2.710 N/A TYR 257.A N GLU 254.A O no hydrogen 3.090 N/A THR 258.A N GLN 218.A O no hydrogen 3.191 N/A CYS 259.A N LEU 272.A O no hydrogen 2.677 N/A CYS 259.A SG THR 216.A O no hydrogen 3.996 N/A ARG 260.A N THR 216.A O no hydrogen 2.669 N/A ARG 260.A NE TYR 262.A OH no hydrogen 3.223 N/A VAL 261.A N LEU 270.A O no hydrogen 2.943 N/A TYR 262.A N THR 214.A O no hydrogen 2.936 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 3.066 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.235 N/A LEU 266.A N HIS 263.A O no hydrogen 3.071 N/A LEU 270.A N VAL 261.A O no hydrogen 3.091 N/A LEU 272.A N CYS 259.A O no hydrogen 2.964 N/A